SCHEMBL7991652

SCHEMBL7991652

Oc1nc(-c2ccncc2)nc2ncn(CCCc3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 2/20 0.42
TSHR P16473 1/20 0.41
GSK3B P49841 4/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
FRK P42685 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPK14 Q16539 4/20 0.37
MAPK13 O15264 3/20 0.37
MAPK12 P53778 3/20 0.37
MAPK11 Q15759 3/20 0.37
ADORA3 P0DMS8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7991678 0.93 HTT (0.40) CNOT7GSK3BPRKD3MAP4K4FRK
SCHEMBL7984242 0.93 CNOT7 (0.45) CNOT7TSHRKDM4EMAPK1LMNA
SCHEMBL7974043 0.88 GBA1 (0.43) CNOT7TSHRKDM4EMAPK1LMNA
SCHEMBL7985603 0.88 CNOT7 (0.41) CNOT7TSHRKDM4EMAPK1LMNA
SCHEMBL7984490 0.88 CNOT7 (0.41) CNOT7TSHRKDM4EMAPK1LMNA
SCHEMBL7974441 0.86 GRK2 (0.43) CNOT7TSHRADORA3ADORA2A
SCHEMBL7974615 0.86 ADORA2A (0.44) CNOT7ADORA3ADORA2AADORA1
SCHEMBL7992303 0.84 CNOT7 (0.40) CNOT7TSHRCSNK1DKDM4EMAPK1
SCHEMBL7988802 0.84 NPC1 (0.44) CNOT7TSHRKDM4EMAPK1LMNA
SCHEMBL7974291 0.83 CNOT7 (0.39) CNOT7TSHRKDM4EMAPK1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed